[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate

C17H25NO3 — CID 55417641

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)18(13(3)4)17(20)14(5)21-16(19)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3
InChIKeyLGDNKGACJZYYSH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.81
Rot. Bonds6

About [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate (PubChem CID 55417641) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
PubChem CID55417641
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)18(13(3)4)17(20)14(5)21-16(19)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3
InChIKeyLGDNKGACJZYYSH-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
CID 55526251
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 15533413

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate (CID 55417641) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate is CC(OC(=O)Cc1ccccc1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate?
The InChIKey is LGDNKGACJZYYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)18(13(3)4)17(20)14(5)21-16(19)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate has a molecular weight of 291.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate is sourced from PubChem (CID 55417641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).